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ALLYL 3-METHYLBUTANOATE
SpectraBase Compound ID JtQUSwrhyVc
InChI InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKey HOMAGVUCNZNWBC-UHFFFAOYSA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kX3YGLRIOY
Name Isovalerate
Source of Sample SAFC Cat.no. W204501
CAS Registry Number 2835-39-4
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 142.099379689 u
Formula C8H14O2
InChI InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKey HOMAGVUCNZNWBC-UHFFFAOYSA-N
Molecular Weight 142.198 g/mol
Number of Peaks 50
RI1 934
RI2 612
RI3 614
RI4 560
SMILES C(CC(C)C)(=O)OCC=C
SPLASH splash10-052o-9000000000-61230396dee0ae1da146
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Butanoic acid, 3-methyl-, 2-propenyl ester
Wiley ID LM_FFNSC3_179